6,6-bis(diethoxyphosphoryl)hex-1-ene

C14H30O6P2 — CID 11462423

IUPAC6,6-bis(diethoxyphosphoryl)hex-1-ene
SMILESC=CCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C14H30O6P2/c1-6-11-12-13-14(21(15,17-7-2)18-8-3)22(16,19-9-4)20-10-5/h6,14H,1,7-13H2,2-5H3
InChIKeyMSNDBSJOVRNCRI-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.20
Rot. Bonds14

About 6,6-bis(diethoxyphosphoryl)hex-1-ene

6,6-bis(diethoxyphosphoryl)hex-1-ene (PubChem CID 11462423) has the molecular formula C14H30O6P2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 6,6-bis(diethoxyphosphoryl)hex-1-ene.

Molecular Properties

Compound Name6,6-bis(diethoxyphosphoryl)hex-1-ene
PubChem CID11462423
Molecular FormulaC14H30O6P2
Molecular Weight356.34 g/mol
Exact Mass356.15
IUPAC Name6,6-bis(diethoxyphosphoryl)hex-1-ene
SMILESC=CCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C14H30O6P2/c1-6-11-12-13-14(21(15,17-7-2)18-8-3)22(16,19-9-4)20-10-5/h6,14H,1,7-13H2,2-5H3
InChIKeyMSNDBSJOVRNCRI-UHFFFAOYSA-N
XLogP5.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
1,4-Bis(diethoxy-phosphinyl)-2-butene
CID 280285
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
Tetraethyl 2-butene-1,4-diphosphonate
CID 6509030

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(diethoxyphosphoryl)hex-1-ene?
The IUPAC name of 6,6-bis(diethoxyphosphoryl)hex-1-ene (CID 11462423) is 6,6-bis(diethoxyphosphoryl)hex-1-ene.
What is the SMILES notation for 6,6-bis(diethoxyphosphoryl)hex-1-ene?
The canonical SMILES for 6,6-bis(diethoxyphosphoryl)hex-1-ene is C=CCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 6,6-bis(diethoxyphosphoryl)hex-1-ene?
The InChIKey is MSNDBSJOVRNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6P2/c1-6-11-12-13-14(21(15,17-7-2)18-8-3)22(16,19-9-4)20-10-5/h6,14H,1,7-13H2,2-5H3.
What are the key properties of 6,6-bis(diethoxyphosphoryl)hex-1-ene?
6,6-bis(diethoxyphosphoryl)hex-1-ene has a molecular weight of 356.34 g/mol, XLogP of 5.20, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(diethoxyphosphoryl)hex-1-ene is sourced from PubChem (CID 11462423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).